N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethylphenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethylphenyl)carbamoyl-propan-2-yl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethylphenyl)carbamoyl-isopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-ethylanilino)-oxomethyl]-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethylphenyl)carbamoyl-propan-2-ylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(3-ethylphenyl)carbamoyl-isopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(C)C

InChI

InChI=1S/C27H31N3O4S/c1-4-20-7-5-8-22(13-20)28-27(32)30(19(2)3)17-26(31)29(16-23-9-6-12-35-23)15-21-10-11-24-25(14-21)34-18-33-24/h5-14,19H,4,15-18H2,1-3H3,(H,28,32)